tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane

C18H27F3O2Si — CID 67814231

About tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane

tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane (PubChem CID 67814231) has the molecular formula C18H27F3O2Si and a molecular weight of 360.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane
• PubChem CID: 67814231
• Molecular Formula: C18H27F3O2Si
• Molecular Weight: 360.49 g/mol
• Exact Mass: 360.17
• IUPAC Name: tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane
• SMILES: COC(c1cccc2c1CC[C@@H]2O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C18H27F3O2Si/c1-17(2,3)24(5,6)23-15-11-10-12-13(15)8-7-9-14(12)16(22-4)18(19,20)21/h7-9,15-16H,10-11H2,1-6H3/t15-,16?/m0/s1
• InChIKey: VGNVZSOBRAZTEU-VYRBHSGPSA-N
• XLogP: 5.95
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.49
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane (CID 67814231) is tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane is COC(c1cccc2c1CC[C@@H]2O[Si](C)(C)C(C)(C)C)C(F)(F)F.

What is the InChIKey of tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane?

The InChIKey is VGNVZSOBRAZTEU-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H27F3O2Si/c1-17(2,3)24(5,6)23-15-11-10-12-13(15)8-7-9-14(12)16(22-4)18(19,20)21/h7-9,15-16H,10-11H2,1-6H3/t15-,16?/m0/s1.

What are the key properties of tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane?

tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane has a molecular weight of 360.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane is sourced from PubChem (CID 67814231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).